1-[4-(aminomethyl)-1H-pyrazol-5-yl]pyrrolidine-2,5-dione

C8H10N4O2 — CID 79503456

IUPAC1-[4-(aminomethyl)-1H-pyrazol-5-yl]pyrrolidine-2,5-dione
SMILESNCc1cn[nH]c1N1C(=O)CCC1=O
InChIInChI=1S/C8H10N4O2/c9-3-5-4-10-11-8(5)12-6(13)1-2-7(12)14/h4H,1-3,9H2,(H,10,11)
InChIKeyQHFPTWGCDPAHDF-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.48
Rot. Bonds2

About 1-[4-(aminomethyl)-1H-pyrazol-5-yl]pyrrolidine-2,5-dione

1-[4-(aminomethyl)-1H-pyrazol-5-yl]pyrrolidine-2,5-dione (PubChem CID 79503456) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-1H-pyrazol-5-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-(aminomethyl)-1H-pyrazol-5-yl]pyrrolidine-2,5-dione
PubChem CID79503456
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name1-[4-(aminomethyl)-1H-pyrazol-5-yl]pyrrolidine-2,5-dione
SMILESNCc1cn[nH]c1N1C(=O)CCC1=O
InChIInChI=1S/C8H10N4O2/c9-3-5-4-10-11-8(5)12-6(13)1-2-7(12)14/h4H,1-3,9H2,(H,10,11)
InChIKeyQHFPTWGCDPAHDF-UHFFFAOYSA-N
XLogP-0.48
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-1H-pyrazol-5-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-(aminomethyl)-1H-pyrazol-5-yl]pyrrolidine-2,5-dione (CID 79503456) is 1-[4-(aminomethyl)-1H-pyrazol-5-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-(aminomethyl)-1H-pyrazol-5-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-(aminomethyl)-1H-pyrazol-5-yl]pyrrolidine-2,5-dione is NCc1cn[nH]c1N1C(=O)CCC1=O.
What is the InChIKey of 1-[4-(aminomethyl)-1H-pyrazol-5-yl]pyrrolidine-2,5-dione?
The InChIKey is QHFPTWGCDPAHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c9-3-5-4-10-11-8(5)12-6(13)1-2-7(12)14/h4H,1-3,9H2,(H,10,11).
What are the key properties of 1-[4-(aminomethyl)-1H-pyrazol-5-yl]pyrrolidine-2,5-dione?
1-[4-(aminomethyl)-1H-pyrazol-5-yl]pyrrolidine-2,5-dione has a molecular weight of 194.19 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-1H-pyrazol-5-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 79503456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).